1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol

C29H36O5Si — CID 18649513

IUPAC1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
SMILESCC(C)(C)[Si](OC[C@@H]1OC[C@H](C(O)COCc2ccccc2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36O5Si/c1-29(2,3)35(24-15-9-5-10-16-24,25-17-11-6-12-18-25)33-22-28-32-21-27(34-28)26(30)20-31-19-23-13-7-4-8-14-23/h4-18,26-28,30H,19-22H2,1-3H3/t26?,27-,28-/m1/s1
InChIKeyWGHLVKXVXTYBRI-DXISBFFWSA-N
MW492.69 g/mol
LogP3.88
Rot. Bonds10

About 1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol

1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol (PubChem CID 18649513) has the molecular formula C29H36O5Si and a molecular weight of 492.69 g/mol. Its IUPAC name is 1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol.

Molecular Properties

Compound Name1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
PubChem CID18649513
Molecular FormulaC29H36O5Si
Molecular Weight492.69 g/mol
Exact Mass492.23
IUPAC Name1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
SMILESCC(C)(C)[Si](OC[C@@H]1OC[C@H](C(O)COCc2ccccc2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36O5Si/c1-29(2,3)35(24-15-9-5-10-16-24,25-17-11-6-12-18-25)33-22-28-32-21-27(34-28)26(30)20-31-19-23-13-7-4-8-14-23/h4-18,26-28,30H,19-22H2,1-3H3/t26?,27-,28-/m1/s1
InChIKeyWGHLVKXVXTYBRI-DXISBFFWSA-N
XLogP3.88
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.69
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
CID 140879334
tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane
CID 45379868
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol
CID 11452775
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
CID 10885655
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5S)-3-ethynyl-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-3-phenylmethoxypropan-2-ol
CID 123562509
tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
CID 142503970
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylmethoxyethoxy]silane
CID 11162635

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol?
The IUPAC name of 1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol (CID 18649513) is 1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol.
What is the SMILES notation for 1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol?
The canonical SMILES for 1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol is CC(C)(C)[Si](OC[C@@H]1OC[C@H](C(O)COCc2ccccc2)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol?
The InChIKey is WGHLVKXVXTYBRI-DXISBFFWSA-N. The full InChI is InChI=1S/C29H36O5Si/c1-29(2,3)35(24-15-9-5-10-16-24,25-17-11-6-12-18-25)33-22-28-32-21-27(34-28)26(30)20-31-19-23-13-7-4-8-14-23/h4-18,26-28,30H,19-22H2,1-3H3/t26?,27-,28-/m1/s1.
What are the key properties of 1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol?
1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol has a molecular weight of 492.69 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol is sourced from PubChem (CID 18649513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).